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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM330899'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM330899
PNG
(US9725445, 3-80)
Show SMILES OCCN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C22H24N6O4S/c23-12-14-3-1-2-4-17(14)28-18-7-8-24-22(30)20(18)21(26-28)25-16-5-6-19-15(11-16)13-27(9-10-29)33(19,31)32/h5-8,11,14,17,29H,1-4,9-10,13H2,(H,24,30)(H,25,26)/t14-,17+/m1/s1
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PC cid
PC sid
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US Patent
n/an/a 79n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

More data for this
Ligand-Target Pair